Benzene

Benzene

SCHEMBL28142175

CCCCCCCCCCCCCCCCCCOC=O.c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PLA2G2A P14555 1/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA9 Q16790 6/20 0.39
LPAR3 Q9UBY5 3/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hexyl Formate SCHEMBL28202778 1.00 HCAR2 (0.41) HCAR2TSHRALDH1A1LMNAPLA2G2A
Benzene SCHEMBL27331235 1.00 HCAR2 (0.41) HCAR2TSHRALDH1A1LMNAPLA2G2A
Heptyl Formate SCHEMBL93149 0.93 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL154931 0.93 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL160274 0.93 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL93202 0.93 TSHR (0.46) TSHRCA1CA2CA9LPAR3
Hexyl Formate SCHEMBL59493 0.93
SCHEMBL156980 0.93 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL2858734 0.93 TSHR (0.46) TSHRCA1CA2CA9LPAR3
SCHEMBL55804 0.93 TSHR (0.46) TSHRCA1CA2CA9LPAR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659815-A Absorbent article comprising a cooling system 宝洁公司 2017-05-10 CN disclosed